Geometry & MOs

Info

ID:	132639
PubChem CID:	51390015
Reduced:	BrOF3N5C18H23 (1)
Stoich.:	ABC3D5E18F23 (1)
Weight, g/mol:	330.10552
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	11.84
IP(EA), eV:	-9.38(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2S)-1-(diethylamino)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN(C)C(=O)[C@@H](C)N2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

DOS

IR

Vibrations